Twelve new clerodane diterpenoids named callicarpanes A–L ( 1 – 12 ), together with eight known compounds ( 13 – 20 ), were isolated from Callicarpa integerrima . Their structures were determined by comprehensive spectroscopic data. The calculated chemical shifts were used to identify relative configurations using DP4+ analysis. The absolute configurations (AC) were assigned based on quantum chemical calculations and X-ray single-crystal diffraction methods. Compounds 1 , 3 , 5 , 9 , 10 , 12 , 15 , 16 , and 19 showed significant inhibitory activity for NLRP3 inflammasome activation, with the IC 50 against lactate dehydrogenase (LDH) release ranging from 0.08 to 4.78 μM. Further study revealed that compound 10 repressed IL-1 β secretion and caspase-1 maturation in J774A.1 cell as well as blocked macrophage pyroptosis. Graphical
Two new nor-ent-halimane diterpenes and three previously unreported nor -clerodane diterpenes, designated callicaintides A−E ( 1−5 ), were isolated from Callicarpa integerrima . Compounds 1 and 2 feature a distinctive 5/6-membered ring system, while compounds 3−5 are characterized by progressively truncated carbon skeletons, containing 18, 17, and 16 carbons, respectively. In addition, four known compounds 6−9 were also identified. Their structures were elucidated using advanced spectroscopic techniques, including nuclear magnetic resonance (NMR), high-resolution electrospray ionization mass spectrometry (HR-ESI-MS), ultraviolet (UV), infrared radiation (IR), optical rotatory dispersion (ORD), DP4 + analysis and electronic circular dichroism (ECD), supported by quantum chemical calculations. Compounds 1−9 were evaluated for their anti-MRSA activity. Among them, compound 6 demonstrated significant anti-MRSA activity, with a minimum inhibitory concentration (MIC) of 16 μg·mL −1 .
危险品化学品经营许可证（带存储）